SCHEMBL5457565

SCHEMBL5457565

O=C(NCCc1ccccc1)c1cnc(Nc2cccc(Br)c2)cc1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.70
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
APOBEC3A P31941 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5447794 0.89 CNR2 (0.63) CNR2RAB9ANPC1MAPTKDM4E
SCHEMBL5457359 0.89 CNR2 (0.67) CNR2RAB9ANPC1MAPTCYP1A2
SCHEMBL5787854 0.87 CNR2 (0.54) CNR2RAB9ANPC1MAPTCYP1A2
SCHEMBL5454238 0.85 CNR2 (0.53) CNR2RAB9ANPC1MAPTIRAK4
SCHEMBL5452694 0.84 CNR2 (0.57) CNR2RAB9ANPC1MAPTKDM4E
SCHEMBL5448657 0.83 CNR2 (1.00) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5212199 0.82 CNR2 (0.70) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5215465 0.82 CNR2 (0.72) CNR2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5488182 0.80 CNR2 (0.78) CNR2MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL5212684 0.80 CNR2 (0.78) CNR2CYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP claimed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885RAB9A 1668/4885NPC1 1143/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.